5-chloro-N-[2-(ethylamino)ethyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide

C14H23ClN2O4S — CID 120708878

IUPAC5-chloro-N-[2-(ethylamino)ethyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1cc(Cl)ccc1OC(C)COC
InChIInChI=1S/C14H23ClN2O4S/c1-4-16-7-8-17-22(18,19)14-9-12(15)5-6-13(14)21-11(2)10-20-3/h5-6,9,11,16-17H,4,7-8,10H2,1-3H3
InChIKeyDEWBYUPLYZMFKK-UHFFFAOYSA-N
MW350.87 g/mol
LogP1.64
Rot. Bonds10

About 5-chloro-N-[2-(ethylamino)ethyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide

5-chloro-N-[2-(ethylamino)ethyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide (PubChem CID 120708878) has the molecular formula C14H23ClN2O4S and a molecular weight of 350.87 g/mol. Its IUPAC name is 5-chloro-N-[2-(ethylamino)ethyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(ethylamino)ethyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide
PubChem CID120708878
Molecular FormulaC14H23ClN2O4S
Molecular Weight350.87 g/mol
Exact Mass350.11
IUPAC Name5-chloro-N-[2-(ethylamino)ethyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1cc(Cl)ccc1OC(C)COC
InChIInChI=1S/C14H23ClN2O4S/c1-4-16-7-8-17-22(18,19)14-9-12(15)5-6-13(14)21-11(2)10-20-3/h5-6,9,11,16-17H,4,7-8,10H2,1-3H3
InChIKeyDEWBYUPLYZMFKK-UHFFFAOYSA-N
XLogP1.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminobutyl)-5-chloro-2-(1-methoxypropan-2-yloxy)benzenesulfonamide
CID 120713446
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide;hydrochloride
CID 120713968
N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide
CID 155949381
N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methoxypropanamide
CID 155949392
5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716555
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
N-[2-(aminomethyl)cyclopentyl]-5-chloro-2-(1-methoxypropan-2-yloxy)benzenesulfonamide
CID 120711097
4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119973952
4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039819
5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride
CID 107889750
5-chloro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide
CID 120717656
2-[4-chloro-2-[2-(propylamino)ethylsulfamoyl]phenoxy]acetamide
CID 120716467

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(ethylamino)ethyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide?
The IUPAC name of 5-chloro-N-[2-(ethylamino)ethyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide (CID 120708878) is 5-chloro-N-[2-(ethylamino)ethyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(ethylamino)ethyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide?
The canonical SMILES for 5-chloro-N-[2-(ethylamino)ethyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide is CCNCCNS(=O)(=O)c1cc(Cl)ccc1OC(C)COC.
What is the InChIKey of 5-chloro-N-[2-(ethylamino)ethyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide?
The InChIKey is DEWBYUPLYZMFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O4S/c1-4-16-7-8-17-22(18,19)14-9-12(15)5-6-13(14)21-11(2)10-20-3/h5-6,9,11,16-17H,4,7-8,10H2,1-3H3.
What are the key properties of 5-chloro-N-[2-(ethylamino)ethyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide?
5-chloro-N-[2-(ethylamino)ethyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide has a molecular weight of 350.87 g/mol, XLogP of 1.64, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(ethylamino)ethyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide is sourced from PubChem (CID 120708878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).